data_4732 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4732 _Entry.Title ; HMG-D complexed to a bulge DNA: an NMR study ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-05-03 _Entry.Accession_date 2000-05-03 _Entry.Last_release_date 2000-05-11 _Entry.Original_release_date 2000-05-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rachel Cerdan . . . 4732 2 Dominique Payet . . . 4732 3 Ji-Chun Yang . . . 4732 4 Andrew Travers . A. . 4732 5 David Neuhaus . . . 4732 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4732 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 453 4732 '13C chemical shifts' 149 4732 '15N chemical shifts' 89 4732 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-05-11 2000-05-03 original author . 4732 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4733 'bulge DNA' 4732 BMRB 4734 'HMG-D protein - bulge DNA complex' 4732 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4732 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'HMG-D complexed to a bulge DNA: an NMR study' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rachel Cerdan . . . 4732 1 2 Dominique Payet . . . 4732 1 3 Ji-Chun Yang . . . 4732 1 4 Andrew Travers . A . 4732 1 5 David Neuhaus . . . 4732 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'HMG-D protein' 4732 1 'bulge DNA' 4732 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_HMG-D112 _Assembly.Sf_category assembly _Assembly.Sf_framecode HMG-D112 _Assembly.Entry_ID 4732 _Assembly.ID 1 _Assembly.Name 'High mobility group protein of Drosophila' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4732 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HMG-D protein free' 1 $HMG-D . . . native . . . . . 4732 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'High mobility group protein of Drosophila' system 4732 1 HMG-D112 abbreviation 4732 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding protein' 4732 1 'chromatin-associated protein' 4732 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HMG-D _Entity.Sf_category entity _Entity.Sf_framecode HMG-D _Entity.Entry_ID 4732 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'High Mobility Protein of Drosophila' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSDKPKRPLSAYMLWLNSAR ESIKRENPGIKVTEVAKRGG ELWRAMKDKSEWEAKAAKAK DDYDRAVKEFEANGGSSAAN GGGAKKRAKPAKKVAKKSKK EESDEDDDDESE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4734 . "High Mobility Protein of Drosophila" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 2 no PDB 1E7J . "Hmg-D Complexed To A Bulge Dna" . . . . . 66.07 74 100.00 100.00 4.52e-44 . . . . 4732 1 3 no PDB 1HMA . "The Solution Structure And Dynamics Of The Dna Binding Domain Of Hmg-D From Drosophila Melanogaster" . . . . . 64.29 73 100.00 100.00 2.30e-42 . . . . 4732 1 4 no PDB 1QRV . "Crystal Structure Of The Complex Of Hmg-D And Dna" . . . . . 65.18 73 100.00 100.00 4.80e-43 . . . . 4732 1 5 no PDB 3NM9 . "Hmgd(M13a)-Dna Complex" . . . . . 65.18 73 98.63 98.63 6.37e-42 . . . . 4732 1 6 no EMBL CAA50468 . "Hmg-D protein [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 7 no EMBL CAL26283 . "CG17950 [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 8 no EMBL CAL26284 . "CG17950 [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 9 no EMBL CAL26285 . "CG17950 [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 10 no EMBL CAL26286 . "CG17950 [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 11 no GB AAA28609 . "high mobility group protein [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 12 no GB AAF46759 . "high mobility group protein D, isoform A [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 13 no GB AAM48362 . "LD24628p [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 14 no GB AAM71011 . "high mobility group protein D, isoform B [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 15 no GB AAR09820 . "similar to Drosophila melanogaster HmgD, partial [Drosophila yakuba]" . . . . . 100.00 111 98.21 98.21 7.52e-66 . . . . 4732 1 16 no REF NP_001163244 . "high mobility group protein D, isoform C [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 17 no REF NP_001286696 . "high mobility group protein D, isoform D [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 18 no REF NP_726109 . "high mobility group protein D, isoform A [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 19 no REF NP_726110 . "high mobility group protein D, isoform B [Drosophila melanogaster]" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 20 no REF XP_001975105 . "GG22136 [Drosophila erecta]" . . . . . 100.00 111 97.32 98.21 1.90e-65 . . . . 4732 1 21 no SP Q05783 . "RecName: Full=High mobility group protein D; Short=HMG-D" . . . . . 100.00 112 100.00 100.00 2.74e-69 . . . . 4732 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'High Mobility Protein of Drosophila' common 4732 1 HMG-D abbreviation 4732 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4732 1 2 . SER . 4732 1 3 . ASP . 4732 1 4 . LYS . 4732 1 5 . PRO . 4732 1 6 . LYS . 4732 1 7 . ARG . 4732 1 8 . PRO . 4732 1 9 . LEU . 4732 1 10 . SER . 4732 1 11 . ALA . 4732 1 12 . TYR . 4732 1 13 . MET . 4732 1 14 . LEU . 4732 1 15 . TRP . 4732 1 16 . LEU . 4732 1 17 . ASN . 4732 1 18 . SER . 4732 1 19 . ALA . 4732 1 20 . ARG . 4732 1 21 . GLU . 4732 1 22 . SER . 4732 1 23 . ILE . 4732 1 24 . LYS . 4732 1 25 . ARG . 4732 1 26 . GLU . 4732 1 27 . ASN . 4732 1 28 . PRO . 4732 1 29 . GLY . 4732 1 30 . ILE . 4732 1 31 . LYS . 4732 1 32 . VAL . 4732 1 33 . THR . 4732 1 34 . GLU . 4732 1 35 . VAL . 4732 1 36 . ALA . 4732 1 37 . LYS . 4732 1 38 . ARG . 4732 1 39 . GLY . 4732 1 40 . GLY . 4732 1 41 . GLU . 4732 1 42 . LEU . 4732 1 43 . TRP . 4732 1 44 . ARG . 4732 1 45 . ALA . 4732 1 46 . MET . 4732 1 47 . LYS . 4732 1 48 . ASP . 4732 1 49 . LYS . 4732 1 50 . SER . 4732 1 51 . GLU . 4732 1 52 . TRP . 4732 1 53 . GLU . 4732 1 54 . ALA . 4732 1 55 . LYS . 4732 1 56 . ALA . 4732 1 57 . ALA . 4732 1 58 . LYS . 4732 1 59 . ALA . 4732 1 60 . LYS . 4732 1 61 . ASP . 4732 1 62 . ASP . 4732 1 63 . TYR . 4732 1 64 . ASP . 4732 1 65 . ARG . 4732 1 66 . ALA . 4732 1 67 . VAL . 4732 1 68 . LYS . 4732 1 69 . GLU . 4732 1 70 . PHE . 4732 1 71 . GLU . 4732 1 72 . ALA . 4732 1 73 . ASN . 4732 1 74 . GLY . 4732 1 75 . GLY . 4732 1 76 . SER . 4732 1 77 . SER . 4732 1 78 . ALA . 4732 1 79 . ALA . 4732 1 80 . ASN . 4732 1 81 . GLY . 4732 1 82 . GLY . 4732 1 83 . GLY . 4732 1 84 . ALA . 4732 1 85 . LYS . 4732 1 86 . LYS . 4732 1 87 . ARG . 4732 1 88 . ALA . 4732 1 89 . LYS . 4732 1 90 . PRO . 4732 1 91 . ALA . 4732 1 92 . LYS . 4732 1 93 . LYS . 4732 1 94 . VAL . 4732 1 95 . ALA . 4732 1 96 . LYS . 4732 1 97 . LYS . 4732 1 98 . SER . 4732 1 99 . LYS . 4732 1 100 . LYS . 4732 1 101 . GLU . 4732 1 102 . GLU . 4732 1 103 . SER . 4732 1 104 . ASP . 4732 1 105 . GLU . 4732 1 106 . ASP . 4732 1 107 . ASP . 4732 1 108 . ASP . 4732 1 109 . ASP . 4732 1 110 . GLU . 4732 1 111 . SER . 4732 1 112 . GLU . 4732 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4732 1 . SER 2 2 4732 1 . ASP 3 3 4732 1 . LYS 4 4 4732 1 . PRO 5 5 4732 1 . LYS 6 6 4732 1 . ARG 7 7 4732 1 . PRO 8 8 4732 1 . LEU 9 9 4732 1 . SER 10 10 4732 1 . ALA 11 11 4732 1 . TYR 12 12 4732 1 . MET 13 13 4732 1 . LEU 14 14 4732 1 . TRP 15 15 4732 1 . LEU 16 16 4732 1 . ASN 17 17 4732 1 . SER 18 18 4732 1 . ALA 19 19 4732 1 . ARG 20 20 4732 1 . GLU 21 21 4732 1 . SER 22 22 4732 1 . ILE 23 23 4732 1 . LYS 24 24 4732 1 . ARG 25 25 4732 1 . GLU 26 26 4732 1 . ASN 27 27 4732 1 . PRO 28 28 4732 1 . GLY 29 29 4732 1 . ILE 30 30 4732 1 . LYS 31 31 4732 1 . VAL 32 32 4732 1 . THR 33 33 4732 1 . GLU 34 34 4732 1 . VAL 35 35 4732 1 . ALA 36 36 4732 1 . LYS 37 37 4732 1 . ARG 38 38 4732 1 . GLY 39 39 4732 1 . GLY 40 40 4732 1 . GLU 41 41 4732 1 . LEU 42 42 4732 1 . TRP 43 43 4732 1 . ARG 44 44 4732 1 . ALA 45 45 4732 1 . MET 46 46 4732 1 . LYS 47 47 4732 1 . ASP 48 48 4732 1 . LYS 49 49 4732 1 . SER 50 50 4732 1 . GLU 51 51 4732 1 . TRP 52 52 4732 1 . GLU 53 53 4732 1 . ALA 54 54 4732 1 . LYS 55 55 4732 1 . ALA 56 56 4732 1 . ALA 57 57 4732 1 . LYS 58 58 4732 1 . ALA 59 59 4732 1 . LYS 60 60 4732 1 . ASP 61 61 4732 1 . ASP 62 62 4732 1 . TYR 63 63 4732 1 . ASP 64 64 4732 1 . ARG 65 65 4732 1 . ALA 66 66 4732 1 . VAL 67 67 4732 1 . LYS 68 68 4732 1 . GLU 69 69 4732 1 . PHE 70 70 4732 1 . GLU 71 71 4732 1 . ALA 72 72 4732 1 . ASN 73 73 4732 1 . GLY 74 74 4732 1 . GLY 75 75 4732 1 . SER 76 76 4732 1 . SER 77 77 4732 1 . ALA 78 78 4732 1 . ALA 79 79 4732 1 . ASN 80 80 4732 1 . GLY 81 81 4732 1 . GLY 82 82 4732 1 . GLY 83 83 4732 1 . ALA 84 84 4732 1 . LYS 85 85 4732 1 . LYS 86 86 4732 1 . ARG 87 87 4732 1 . ALA 88 88 4732 1 . LYS 89 89 4732 1 . PRO 90 90 4732 1 . ALA 91 91 4732 1 . LYS 92 92 4732 1 . LYS 93 93 4732 1 . VAL 94 94 4732 1 . ALA 95 95 4732 1 . LYS 96 96 4732 1 . LYS 97 97 4732 1 . SER 98 98 4732 1 . LYS 99 99 4732 1 . LYS 100 100 4732 1 . GLU 101 101 4732 1 . GLU 102 102 4732 1 . SER 103 103 4732 1 . ASP 104 104 4732 1 . GLU 105 105 4732 1 . ASP 106 106 4732 1 . ASP 107 107 4732 1 . ASP 108 108 4732 1 . ASP 109 109 4732 1 . GLU 110 110 4732 1 . SER 111 111 4732 1 . GLU 112 112 4732 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4732 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HMG-D . 7227 . . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 4732 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 4732 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HMG-D . 'recombinant technology' 'Escherichia coli' 'E. Coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 4732 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4732 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'High Mobility Protein of Drosophila' '[U-95% 15N; U-95% 13C]' . . 1 $HMG-D . . . 0.8 1 mM . . . . 4732 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 4732 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; same conditions used for the three samples of section 6 ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 4732 1 temperature 303 1 K 4732 1 'ionic strength' 0.005 . M 4732 1 stop_ save_ ############################ # Computer software used # ############################ save_Xwin-NMR _Software.Sf_category software _Software.Sf_framecode Xwin-NMR _Software.Entry_ID 4732 _Software.ID 1 _Software.Name Xwin-NMR _Software.Version . _Software.Details . save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 4732 _Software.ID 2 _Software.Name Felix _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4732 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4732 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4732 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 600 . . . 4732 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 4732 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4732 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4732 1 2 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4732 1 3 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4732 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4732 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4732 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4732 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4732 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4732 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4732 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct . internal cylindrical parallel_to_Bo . . . . . . 4732 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4732 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4732 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts _Assigned_chem_shift_list.Entry_ID 4732 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4732 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 PRO CA C 13 62.9 0.2 . 1 . . . . . . . . 4732 1 2 . 1 1 5 5 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 4732 1 3 . 1 1 5 5 PRO CD C 13 50.1 0.2 . 1 . . . . . . . . 4732 1 4 . 1 1 6 6 LYS H H 1 8.46 0.01 . 1 . . . . . . . . 4732 1 5 . 1 1 6 6 LYS HA H 1 4.34 0.01 . 1 . . . . . . . . 4732 1 6 . 1 1 6 6 LYS CA C 13 55.8 0.2 . 1 . . . . . . . . 4732 1 7 . 1 1 8 8 PRO CA C 13 62.4 0.2 . 1 . . . . . . . . 4732 1 8 . 1 1 8 8 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 4732 1 9 . 1 1 8 8 PRO CD C 13 50.1 0.2 . 1 . . . . . . . . 4732 1 10 . 1 1 9 9 LEU H H 1 8.04 0.01 . 1 . . . . . . . . 4732 1 11 . 1 1 9 9 LEU HA H 1 4.34 0.01 . 1 . . . . . . . . 4732 1 12 . 1 1 9 9 LEU HB2 H 1 1.47 0.01 . 2 . . . . . . . . 4732 1 13 . 1 1 9 9 LEU HB3 H 1 1.63 0.01 . 2 . . . . . . . . 4732 1 14 . 1 1 9 9 LEU HG H 1 1.73 0.01 . 1 . . . . . . . . 4732 1 15 . 1 1 9 9 LEU HD11 H 1 0.82 0.01 . 1 . . . . . . . . 4732 1 16 . 1 1 9 9 LEU HD12 H 1 0.82 0.01 . 1 . . . . . . . . 4732 1 17 . 1 1 9 9 LEU HD13 H 1 0.82 0.01 . 1 . . . . . . . . 4732 1 18 . 1 1 9 9 LEU HD21 H 1 0.82 0.01 . 1 . . . . . . . . 4732 1 19 . 1 1 9 9 LEU HD22 H 1 0.82 0.01 . 1 . . . . . . . . 4732 1 20 . 1 1 9 9 LEU HD23 H 1 0.82 0.01 . 1 . . . . . . . . 4732 1 21 . 1 1 9 9 LEU CA C 13 54.7 0.2 . 1 . . . . . . . . 4732 1 22 . 1 1 9 9 LEU CB C 13 43.2 0.2 . 1 . . . . . . . . 4732 1 23 . 1 1 9 9 LEU N N 15 121.8 0.2 . 1 . . . . . . . . 4732 1 24 . 1 1 10 10 SER H H 1 7.91 0.01 . 1 . . . . . . . . 4732 1 25 . 1 1 10 10 SER HA H 1 4.37 0.01 . 1 . . . . . . . . 4732 1 26 . 1 1 10 10 SER HB2 H 1 4.08 0.01 . 1 . . . . . . . . 4732 1 27 . 1 1 10 10 SER HB3 H 1 4.08 0.01 . 1 . . . . . . . . 4732 1 28 . 1 1 10 10 SER CA C 13 56.7 0.2 . 1 . . . . . . . . 4732 1 29 . 1 1 10 10 SER CB C 13 65.4 0.2 . 1 . . . . . . . . 4732 1 30 . 1 1 10 10 SER N N 15 115.0 0.2 . 1 . . . . . . . . 4732 1 31 . 1 1 11 11 ALA H H 1 8.94 0.01 . 1 . . . . . . . . 4732 1 32 . 1 1 11 11 ALA HA H 1 4.08 0.01 . 1 . . . . . . . . 4732 1 33 . 1 1 11 11 ALA HB1 H 1 1.68 0.01 . 1 . . . . . . . . 4732 1 34 . 1 1 11 11 ALA HB2 H 1 1.68 0.01 . 1 . . . . . . . . 4732 1 35 . 1 1 11 11 ALA HB3 H 1 1.68 0.01 . 1 . . . . . . . . 4732 1 36 . 1 1 11 11 ALA CA C 13 56.4 0.2 . 1 . . . . . . . . 4732 1 37 . 1 1 11 11 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 4732 1 38 . 1 1 11 11 ALA N N 15 122.6 0.2 . 1 . . . . . . . . 4732 1 39 . 1 1 12 12 TYR H H 1 8.04 0.01 . 1 . . . . . . . . 4732 1 40 . 1 1 12 12 TYR HA H 1 2.38 0.01 . 1 . . . . . . . . 4732 1 41 . 1 1 12 12 TYR HB2 H 1 1.99 0.01 . 1 . . . . . . . . 4732 1 42 . 1 1 12 12 TYR HB3 H 1 1.99 0.01 . 1 . . . . . . . . 4732 1 43 . 1 1 12 12 TYR HD1 H 1 6.61 0.01 . 1 . . . . . . . . 4732 1 44 . 1 1 12 12 TYR HD2 H 1 6.61 0.01 . 1 . . . . . . . . 4732 1 45 . 1 1 12 12 TYR HE1 H 1 6.13 0.01 . 1 . . . . . . . . 4732 1 46 . 1 1 12 12 TYR HE2 H 1 6.13 0.01 . 1 . . . . . . . . 4732 1 47 . 1 1 12 12 TYR CA C 13 59.1 0.2 . 1 . . . . . . . . 4732 1 48 . 1 1 12 12 TYR CB C 13 37.8 0.2 . 1 . . . . . . . . 4732 1 49 . 1 1 12 12 TYR N N 15 115.4 0.2 . 1 . . . . . . . . 4732 1 50 . 1 1 13 13 MET H H 1 7.39 0.01 . 1 . . . . . . . . 4732 1 51 . 1 1 13 13 MET HA H 1 3.77 0.01 . 1 . . . . . . . . 4732 1 52 . 1 1 13 13 MET HB2 H 1 1.84 0.01 . 2 . . . . . . . . 4732 1 53 . 1 1 13 13 MET HB3 H 1 2.18 0.01 . 2 . . . . . . . . 4732 1 54 . 1 1 13 13 MET HE1 H 1 2.04 0.01 . 1 . . . . . . . . 4732 1 55 . 1 1 13 13 MET HE2 H 1 2.04 0.01 . 1 . . . . . . . . 4732 1 56 . 1 1 13 13 MET HE3 H 1 2.04 0.01 . 1 . . . . . . . . 4732 1 57 . 1 1 13 13 MET CA C 13 56.7 0.2 . 1 . . . . . . . . 4732 1 58 . 1 1 13 13 MET CB C 13 31.5 0.2 . 1 . . . . . . . . 4732 1 59 . 1 1 13 13 MET N N 15 116.9 0.2 . 1 . . . . . . . . 4732 1 60 . 1 1 14 14 LEU H H 1 8.53 0.01 . 1 . . . . . . . . 4732 1 61 . 1 1 14 14 LEU HA H 1 3.95 0.01 . 1 . . . . . . . . 4732 1 62 . 1 1 14 14 LEU HB2 H 1 2.28 0.01 . 2 . . . . . . . . 4732 1 63 . 1 1 14 14 LEU HB3 H 1 1.71 0.01 . 2 . . . . . . . . 4732 1 64 . 1 1 14 14 LEU HG H 1 1.84 0.01 . 1 . . . . . . . . 4732 1 65 . 1 1 14 14 LEU HD11 H 1 1.00 0.01 . 2 . . . . . . . . 4732 1 66 . 1 1 14 14 LEU HD12 H 1 1.00 0.01 . 2 . . . . . . . . 4732 1 67 . 1 1 14 14 LEU HD13 H 1 1.00 0.01 . 2 . . . . . . . . 4732 1 68 . 1 1 14 14 LEU HD21 H 1 0.95 0.01 . 2 . . . . . . . . 4732 1 69 . 1 1 14 14 LEU HD22 H 1 0.95 0.01 . 2 . . . . . . . . 4732 1 70 . 1 1 14 14 LEU HD23 H 1 0.95 0.01 . 2 . . . . . . . . 4732 1 71 . 1 1 14 14 LEU CA C 13 58.6 0.2 . 1 . . . . . . . . 4732 1 72 . 1 1 14 14 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 4732 1 73 . 1 1 14 14 LEU N N 15 121.0 0.2 . 1 . . . . . . . . 4732 1 74 . 1 1 15 15 TRP H H 1 8.02 0.01 . 1 . . . . . . . . 4732 1 75 . 1 1 15 15 TRP HA H 1 2.28 0.01 . 1 . . . . . . . . 4732 1 76 . 1 1 15 15 TRP HB2 H 1 2.75 0.01 . 2 . . . . . . . . 4732 1 77 . 1 1 15 15 TRP HB3 H 1 1.84 0.01 . 2 . . . . . . . . 4732 1 78 . 1 1 15 15 TRP HD1 H 1 6.21 0.01 . 1 . . . . . . . . 4732 1 79 . 1 1 15 15 TRP HE1 H 1 9.97 0.01 . 1 . . . . . . . . 4732 1 80 . 1 1 15 15 TRP HE3 H 1 7.05 0.01 . 1 . . . . . . . . 4732 1 81 . 1 1 15 15 TRP HZ2 H 1 7.29 0.01 . 1 . . . . . . . . 4732 1 82 . 1 1 15 15 TRP HZ3 H 1 6.95 0.01 . 1 . . . . . . . . 4732 1 83 . 1 1 15 15 TRP HH2 H 1 7.20 0.01 . 1 . . . . . . . . 4732 1 84 . 1 1 15 15 TRP N N 15 122.7 0.2 . 1 . . . . . . . . 4732 1 85 . 1 1 15 15 TRP NE1 N 15 129.4 0.2 . 1 . . . . . . . . 4732 1 86 . 1 1 16 16 LEU H H 1 8.95 0.01 . 1 . . . . . . . . 4732 1 87 . 1 1 16 16 LEU HA H 1 2.54 0.01 . 1 . . . . . . . . 4732 1 88 . 1 1 16 16 LEU HB2 H 1 1.26 0.01 . 1 . . . . . . . . 4732 1 89 . 1 1 16 16 LEU HB3 H 1 1.26 0.01 . 1 . . . . . . . . 4732 1 90 . 1 1 16 16 LEU HG H 1 1.11 0.01 . 1 . . . . . . . . 4732 1 91 . 1 1 16 16 LEU HD11 H 1 0.51 0.01 . 2 . . . . . . . . 4732 1 92 . 1 1 16 16 LEU HD12 H 1 0.51 0.01 . 2 . . . . . . . . 4732 1 93 . 1 1 16 16 LEU HD13 H 1 0.51 0.01 . 2 . . . . . . . . 4732 1 94 . 1 1 16 16 LEU HD21 H 1 0.69 0.01 . 2 . . . . . . . . 4732 1 95 . 1 1 16 16 LEU HD22 H 1 0.69 0.01 . 2 . . . . . . . . 4732 1 96 . 1 1 16 16 LEU HD23 H 1 0.69 0.01 . 2 . . . . . . . . 4732 1 97 . 1 1 16 16 LEU CA C 13 57.2 0.2 . 1 . . . . . . . . 4732 1 98 . 1 1 16 16 LEU CB C 13 40.3 0.2 . 1 . . . . . . . . 4732 1 99 . 1 1 16 16 LEU N N 15 123.3 0.2 . 1 . . . . . . . . 4732 1 100 . 1 1 17 17 ASN H H 1 7.87 0.01 . 1 . . . . . . . . 4732 1 101 . 1 1 17 17 ASN HA H 1 4.21 0.01 . 1 . . . . . . . . 4732 1 102 . 1 1 17 17 ASN HB2 H 1 2.78 0.01 . 2 . . . . . . . . 4732 1 103 . 1 1 17 17 ASN HB3 H 1 2.67 0.01 . 2 . . . . . . . . 4732 1 104 . 1 1 17 17 ASN HD21 H 1 6.84 0.01 . 2 . . . . . . . . 4732 1 105 . 1 1 17 17 ASN HD22 H 1 7.41 0.01 . 2 . . . . . . . . 4732 1 106 . 1 1 17 17 ASN CA C 13 55.3 0.2 . 1 . . . . . . . . 4732 1 107 . 1 1 17 17 ASN CB C 13 37.3 0.2 . 1 . . . . . . . . 4732 1 108 . 1 1 17 17 ASN N N 15 115.4 0.2 . 1 . . . . . . . . 4732 1 109 . 1 1 17 17 ASN ND2 N 15 110.5 0.2 . 1 . . . . . . . . 4732 1 110 . 1 1 18 18 SER H H 1 7.25 0.01 . 1 . . . . . . . . 4732 1 111 . 1 1 18 18 SER HA H 1 4.21 0.01 . 1 . . . . . . . . 4732 1 112 . 1 1 18 18 SER HB2 H 1 4.00 0.01 . 2 . . . . . . . . 4732 1 113 . 1 1 18 18 SER HB3 H 1 3.90 0.01 . 2 . . . . . . . . 4732 1 114 . 1 1 18 18 SER CA C 13 60.5 0.2 . 1 . . . . . . . . 4732 1 115 . 1 1 18 18 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 4732 1 116 . 1 1 18 18 SER N N 15 116.1 0.2 . 1 . . . . . . . . 4732 1 117 . 1 1 19 19 ALA H H 1 7.55 0.01 . 1 . . . . . . . . 4732 1 118 . 1 1 19 19 ALA HA H 1 4.24 0.01 . 1 . . . . . . . . 4732 1 119 . 1 1 19 19 ALA HB1 H 1 0.35 0.01 . 1 . . . . . . . . 4732 1 120 . 1 1 19 19 ALA HB2 H 1 0.35 0.01 . 1 . . . . . . . . 4732 1 121 . 1 1 19 19 ALA HB3 H 1 0.35 0.01 . 1 . . . . . . . . 4732 1 122 . 1 1 19 19 ALA CA C 13 52.8 0.2 . 1 . . . . . . . . 4732 1 123 . 1 1 19 19 ALA CB C 13 19.5 0.2 . 1 . . . . . . . . 4732 1 124 . 1 1 19 19 ALA N N 15 124.7 0.2 . 1 . . . . . . . . 4732 1 125 . 1 1 20 20 ARG H H 1 7.87 0.01 . 1 . . . . . . . . 4732 1 126 . 1 1 20 20 ARG HA H 1 3.48 0.01 . 1 . . . . . . . . 4732 1 127 . 1 1 20 20 ARG HB2 H 1 1.84 0.01 . 2 . . . . . . . . 4732 1 128 . 1 1 20 20 ARG HB3 H 1 1.65 0.01 . 2 . . . . . . . . 4732 1 129 . 1 1 20 20 ARG HG2 H 1 1.39 0.01 . 1 . . . . . . . . 4732 1 130 . 1 1 20 20 ARG HG3 H 1 1.39 0.01 . 1 . . . . . . . . 4732 1 131 . 1 1 20 20 ARG HD2 H 1 3.16 0.01 . 2 . . . . . . . . 4732 1 132 . 1 1 20 20 ARG HD3 H 1 3.19 0.01 . 2 . . . . . . . . 4732 1 133 . 1 1 20 20 ARG CA C 13 60.9 0.2 . 1 . . . . . . . . 4732 1 134 . 1 1 20 20 ARG N N 15 119.6 0.2 . 1 . . . . . . . . 4732 1 135 . 1 1 21 21 GLU H H 1 8.34 0.01 . 1 . . . . . . . . 4732 1 136 . 1 1 21 21 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 4732 1 137 . 1 1 21 21 GLU HB2 H 1 2.02 0.01 . 1 . . . . . . . . 4732 1 138 . 1 1 21 21 GLU HB3 H 1 2.02 0.01 . 1 . . . . . . . . 4732 1 139 . 1 1 21 21 GLU HG2 H 1 2.25 0.01 . 2 . . . . . . . . 4732 1 140 . 1 1 21 21 GLU HG3 H 1 2.36 0.01 . 2 . . . . . . . . 4732 1 141 . 1 1 21 21 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 4732 1 142 . 1 1 21 21 GLU CB C 13 28.5 0.2 . 1 . . . . . . . . 4732 1 143 . 1 1 21 21 GLU N N 15 116.8 0.2 . 1 . . . . . . . . 4732 1 144 . 1 1 22 22 SER H H 1 8.03 0.01 . 1 . . . . . . . . 4732 1 145 . 1 1 22 22 SER HA H 1 4.18 0.01 . 1 . . . . . . . . 4732 1 146 . 1 1 22 22 SER HB2 H 1 4.00 0.01 . 2 . . . . . . . . 4732 1 147 . 1 1 22 22 SER HB3 H 1 3.97 0.01 . 2 . . . . . . . . 4732 1 148 . 1 1 22 22 SER CA C 13 61.7 0.2 . 1 . . . . . . . . 4732 1 149 . 1 1 22 22 SER N N 15 117.2 0.2 . 1 . . . . . . . . 4732 1 150 . 1 1 23 23 ILE H H 1 8.06 0.01 . 1 . . . . . . . . 4732 1 151 . 1 1 23 23 ILE HA H 1 3.66 0.01 . 1 . . . . . . . . 4732 1 152 . 1 1 23 23 ILE HB H 1 1.81 0.01 . 1 . . . . . . . . 4732 1 153 . 1 1 23 23 ILE HG12 H 1 1.71 0.01 . 2 . . . . . . . . 4732 1 154 . 1 1 23 23 ILE HG13 H 1 0.85 0.01 . 2 . . . . . . . . 4732 1 155 . 1 1 23 23 ILE HG21 H 1 0.89 0.01 . 1 . . . . . . . . 4732 1 156 . 1 1 23 23 ILE HG22 H 1 0.89 0.01 . 1 . . . . . . . . 4732 1 157 . 1 1 23 23 ILE HG23 H 1 0.89 0.01 . 1 . . . . . . . . 4732 1 158 . 1 1 23 23 ILE HD11 H 1 0.64 0.01 . 1 . . . . . . . . 4732 1 159 . 1 1 23 23 ILE HD12 H 1 0.64 0.01 . 1 . . . . . . . . 4732 1 160 . 1 1 23 23 ILE HD13 H 1 0.64 0.01 . 1 . . . . . . . . 4732 1 161 . 1 1 23 23 ILE CA C 13 65.7 0.2 . 1 . . . . . . . . 4732 1 162 . 1 1 23 23 ILE CB C 13 31.8 0.2 . 1 . . . . . . . . 4732 1 163 . 1 1 23 23 ILE CG2 C 13 16.7 0.2 . 1 . . . . . . . . 4732 1 164 . 1 1 23 23 ILE CD1 C 13 13.5 0.2 . 1 . . . . . . . . 4732 1 165 . 1 1 23 23 ILE N N 15 123.1 0.2 . 1 . . . . . . . . 4732 1 166 . 1 1 24 24 LYS H H 1 7.94 0.01 . 1 . . . . . . . . 4732 1 167 . 1 1 24 24 LYS HA H 1 3.92 0.01 . 1 . . . . . . . . 4732 1 168 . 1 1 24 24 LYS HB2 H 1 1.78 0.01 . 1 . . . . . . . . 4732 1 169 . 1 1 24 24 LYS HB3 H 1 1.78 0.01 . 1 . . . . . . . . 4732 1 170 . 1 1 24 24 LYS HG2 H 1 1.31 0.01 . 1 . . . . . . . . 4732 1 171 . 1 1 24 24 LYS HG3 H 1 1.31 0.01 . 1 . . . . . . . . 4732 1 172 . 1 1 24 24 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 4732 1 173 . 1 1 24 24 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 4732 1 174 . 1 1 24 24 LYS CA C 13 59.6 0.2 . 1 . . . . . . . . 4732 1 175 . 1 1 24 24 LYS N N 15 118.8 0.2 . 1 . . . . . . . . 4732 1 176 . 1 1 25 25 ARG H H 1 7.96 0.01 . 1 . . . . . . . . 4732 1 177 . 1 1 25 25 ARG HA H 1 4.00 0.01 . 1 . . . . . . . . 4732 1 178 . 1 1 25 25 ARG HB2 H 1 1.97 0.01 . 1 . . . . . . . . 4732 1 179 . 1 1 25 25 ARG HB3 H 1 1.97 0.01 . 1 . . . . . . . . 4732 1 180 . 1 1 25 25 ARG HG2 H 1 1.63 0.01 . 2 . . . . . . . . 4732 1 181 . 1 1 25 25 ARG HG3 H 1 1.78 0.01 . 2 . . . . . . . . 4732 1 182 . 1 1 25 25 ARG HD2 H 1 3.24 0.01 . 1 . . . . . . . . 4732 1 183 . 1 1 25 25 ARG HD3 H 1 3.24 0.01 . 1 . . . . . . . . 4732 1 184 . 1 1 25 25 ARG CA C 13 58.9 0.2 . 1 . . . . . . . . 4732 1 185 . 1 1 25 25 ARG CB C 13 30.2 0.2 . 1 . . . . . . . . 4732 1 186 . 1 1 25 25 ARG N N 15 118.7 0.2 . 1 . . . . . . . . 4732 1 187 . 1 1 26 26 GLU H H 1 7.82 0.01 . 1 . . . . . . . . 4732 1 188 . 1 1 26 26 GLU HA H 1 4.18 0.01 . 1 . . . . . . . . 4732 1 189 . 1 1 26 26 GLU HB2 H 1 2.02 0.01 . 2 . . . . . . . . 4732 1 190 . 1 1 26 26 GLU HB3 H 1 2.17 0.01 . 2 . . . . . . . . 4732 1 191 . 1 1 26 26 GLU HG2 H 1 2.33 0.01 . 2 . . . . . . . . 4732 1 192 . 1 1 26 26 GLU HG3 H 1 2.49 0.01 . 2 . . . . . . . . 4732 1 193 . 1 1 26 26 GLU CA C 13 57.0 0.2 . 1 . . . . . . . . 4732 1 194 . 1 1 26 26 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 4732 1 195 . 1 1 26 26 GLU N N 15 115.5 0.2 . 1 . . . . . . . . 4732 1 196 . 1 1 27 27 ASN H H 1 7.33 0.01 . 1 . . . . . . . . 4732 1 197 . 1 1 27 27 ASN HA H 1 5.12 0.01 . 1 . . . . . . . . 4732 1 198 . 1 1 27 27 ASN HB2 H 1 2.55 0.01 . 2 . . . . . . . . 4732 1 199 . 1 1 27 27 ASN HB3 H 1 2.75 0.01 . 2 . . . . . . . . 4732 1 200 . 1 1 27 27 ASN HD21 H 1 7.37 0.01 . 2 . . . . . . . . 4732 1 201 . 1 1 27 27 ASN HD22 H 1 8.23 0.01 . 2 . . . . . . . . 4732 1 202 . 1 1 27 27 ASN CA C 13 51.0 0.2 . 1 . . . . . . . . 4732 1 203 . 1 1 27 27 ASN N N 15 116.4 0.2 . 1 . . . . . . . . 4732 1 204 . 1 1 27 27 ASN ND2 N 15 116.4 0.2 . 1 . . . . . . . . 4732 1 205 . 1 1 28 28 PRO HA H 1 4.44 0.01 . 1 . . . . . . . . 4732 1 206 . 1 1 28 28 PRO HB2 H 1 2.32 0.01 . 2 . . . . . . . . 4732 1 207 . 1 1 28 28 PRO HB3 H 1 1.95 0.01 . 2 . . . . . . . . 4732 1 208 . 1 1 28 28 PRO HG2 H 1 2.02 0.01 . 2 . . . . . . . . 4732 1 209 . 1 1 28 28 PRO HG3 H 1 2.09 0.01 . 2 . . . . . . . . 4732 1 210 . 1 1 28 28 PRO HD2 H 1 3.64 0.01 . 2 . . . . . . . . 4732 1 211 . 1 1 28 28 PRO HD3 H 1 3.48 0.01 . 2 . . . . . . . . 4732 1 212 . 1 1 28 28 PRO CA C 13 64.3 0.2 . 1 . . . . . . . . 4732 1 213 . 1 1 28 28 PRO CB C 13 31.2 0.2 . 1 . . . . . . . . 4732 1 214 . 1 1 28 28 PRO CD C 13 49.9 0.2 . 1 . . . . . . . . 4732 1 215 . 1 1 29 29 GLY H H 1 8.69 0.01 . 1 . . . . . . . . 4732 1 216 . 1 1 29 29 GLY HA2 H 1 4.05 0.01 . 2 . . . . . . . . 4732 1 217 . 1 1 29 29 GLY HA3 H 1 3.84 0.01 . 2 . . . . . . . . 4732 1 218 . 1 1 29 29 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 4732 1 219 . 1 1 29 29 GLY N N 15 110.9 0.2 . 1 . . . . . . . . 4732 1 220 . 1 1 30 30 ILE H H 1 7.77 0.01 . 1 . . . . . . . . 4732 1 221 . 1 1 30 30 ILE HA H 1 4.16 0.01 . 1 . . . . . . . . 4732 1 222 . 1 1 30 30 ILE HB H 1 2.12 0.01 . 1 . . . . . . . . 4732 1 223 . 1 1 30 30 ILE HG12 H 1 1.52 0.01 . 1 . . . . . . . . 4732 1 224 . 1 1 30 30 ILE HG13 H 1 1.52 0.01 . 1 . . . . . . . . 4732 1 225 . 1 1 30 30 ILE HG21 H 1 0.90 0.01 . 1 . . . . . . . . 4732 1 226 . 1 1 30 30 ILE HG22 H 1 0.90 0.01 . 1 . . . . . . . . 4732 1 227 . 1 1 30 30 ILE HG23 H 1 0.90 0.01 . 1 . . . . . . . . 4732 1 228 . 1 1 30 30 ILE HD11 H 1 0.71 0.01 . 1 . . . . . . . . 4732 1 229 . 1 1 30 30 ILE HD12 H 1 0.71 0.01 . 1 . . . . . . . . 4732 1 230 . 1 1 30 30 ILE HD13 H 1 0.71 0.01 . 1 . . . . . . . . 4732 1 231 . 1 1 30 30 ILE CA C 13 62.1 0.2 . 1 . . . . . . . . 4732 1 232 . 1 1 30 30 ILE CB C 13 38.1 0.2 . 1 . . . . . . . . 4732 1 233 . 1 1 30 30 ILE CG2 C 13 17.5 0.2 . 1 . . . . . . . . 4732 1 234 . 1 1 30 30 ILE CD1 C 13 13.8 0.2 . 1 . . . . . . . . 4732 1 235 . 1 1 30 30 ILE N N 15 120.8 0.2 . 1 . . . . . . . . 4732 1 236 . 1 1 31 31 LYS H H 1 8.58 0.01 . 1 . . . . . . . . 4732 1 237 . 1 1 31 31 LYS HA H 1 4.52 0.01 . 1 . . . . . . . . 4732 1 238 . 1 1 31 31 LYS HB2 H 1 1.68 0.01 . 2 . . . . . . . . 4732 1 239 . 1 1 31 31 LYS HB3 H 1 2.31 0.01 . 2 . . . . . . . . 4732 1 240 . 1 1 31 31 LYS HG2 H 1 1.58 0.01 . 1 . . . . . . . . 4732 1 241 . 1 1 31 31 LYS HG3 H 1 1.58 0.01 . 1 . . . . . . . . 4732 1 242 . 1 1 31 31 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 4732 1 243 . 1 1 31 31 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 4732 1 244 . 1 1 31 31 LYS HE2 H 1 3.06 0.01 . 1 . . . . . . . . 4732 1 245 . 1 1 31 31 LYS HE3 H 1 3.06 0.01 . 1 . . . . . . . . 4732 1 246 . 1 1 31 31 LYS CA C 13 55.8 0.2 . 1 . . . . . . . . 4732 1 247 . 1 1 31 31 LYS CB C 13 33.7 0.2 . 1 . . . . . . . . 4732 1 248 . 1 1 31 31 LYS N N 15 125.6 0.2 . 1 . . . . . . . . 4732 1 249 . 1 1 32 32 VAL H H 1 8.73 0.01 . 1 . . . . . . . . 4732 1 250 . 1 1 32 32 VAL HA H 1 3.82 0.01 . 1 . . . . . . . . 4732 1 251 . 1 1 32 32 VAL HB H 1 2.20 0.01 . 1 . . . . . . . . 4732 1 252 . 1 1 32 32 VAL HG11 H 1 1.08 0.01 . 2 . . . . . . . . 4732 1 253 . 1 1 32 32 VAL HG12 H 1 1.08 0.01 . 2 . . . . . . . . 4732 1 254 . 1 1 32 32 VAL HG13 H 1 1.08 0.01 . 2 . . . . . . . . 4732 1 255 . 1 1 32 32 VAL HG21 H 1 1.10 0.01 . 2 . . . . . . . . 4732 1 256 . 1 1 32 32 VAL HG22 H 1 1.10 0.01 . 2 . . . . . . . . 4732 1 257 . 1 1 32 32 VAL HG23 H 1 1.10 0.01 . 2 . . . . . . . . 4732 1 258 . 1 1 32 32 VAL CA C 13 66.2 0.2 . 1 . . . . . . . . 4732 1 259 . 1 1 32 32 VAL CB C 13 31.5 0.2 . 1 . . . . . . . . 4732 1 260 . 1 1 32 32 VAL CG1 C 13 21.4 0.2 . 1 . . . . . . . . 4732 1 261 . 1 1 32 32 VAL CG2 C 13 20.8 0.2 . 1 . . . . . . . . 4732 1 262 . 1 1 32 32 VAL N N 15 121.3 0.2 . 1 . . . . . . . . 4732 1 263 . 1 1 33 33 THR H H 1 7.68 0.01 . 1 . . . . . . . . 4732 1 264 . 1 1 33 33 THR HA H 1 4.18 0.01 . 1 . . . . . . . . 4732 1 265 . 1 1 33 33 THR HB H 1 4.29 0.01 . 1 . . . . . . . . 4732 1 266 . 1 1 33 33 THR HG21 H 1 1.34 0.01 . 1 . . . . . . . . 4732 1 267 . 1 1 33 33 THR HG22 H 1 1.34 0.01 . 1 . . . . . . . . 4732 1 268 . 1 1 33 33 THR HG23 H 1 1.34 0.01 . 1 . . . . . . . . 4732 1 269 . 1 1 33 33 THR CA C 13 64.1 0.2 . 1 . . . . . . . . 4732 1 270 . 1 1 33 33 THR CB C 13 68.2 0.2 . 1 . . . . . . . . 4732 1 271 . 1 1 33 33 THR CG2 C 13 22.4 0.2 . 1 . . . . . . . . 4732 1 272 . 1 1 33 33 THR N N 15 110.1 0.2 . 1 . . . . . . . . 4732 1 273 . 1 1 34 34 GLU H H 1 7.51 0.01 . 1 . . . . . . . . 4732 1 274 . 1 1 34 34 GLU HA H 1 4.34 0.01 . 1 . . . . . . . . 4732 1 275 . 1 1 34 34 GLU HB2 H 1 2.20 0.01 . 2 . . . . . . . . 4732 1 276 . 1 1 34 34 GLU HB3 H 1 2.31 0.01 . 2 . . . . . . . . 4732 1 277 . 1 1 34 34 GLU CA C 13 57.5 0.2 . 1 . . . . . . . . 4732 1 278 . 1 1 34 34 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 4732 1 279 . 1 1 34 34 GLU N N 15 121.4 0.2 . 1 . . . . . . . . 4732 1 280 . 1 1 35 35 VAL H H 1 7.81 0.01 . 1 . . . . . . . . 4732 1 281 . 1 1 35 35 VAL HA H 1 3.48 0.01 . 1 . . . . . . . . 4732 1 282 . 1 1 35 35 VAL HB H 1 2.20 0.01 . 1 . . . . . . . . 4732 1 283 . 1 1 35 35 VAL HG11 H 1 0.87 0.01 . 2 . . . . . . . . 4732 1 284 . 1 1 35 35 VAL HG12 H 1 0.87 0.01 . 2 . . . . . . . . 4732 1 285 . 1 1 35 35 VAL HG13 H 1 0.87 0.01 . 2 . . . . . . . . 4732 1 286 . 1 1 35 35 VAL HG21 H 1 0.97 0.01 . 2 . . . . . . . . 4732 1 287 . 1 1 35 35 VAL HG22 H 1 0.97 0.01 . 2 . . . . . . . . 4732 1 288 . 1 1 35 35 VAL HG23 H 1 0.97 0.01 . 2 . . . . . . . . 4732 1 289 . 1 1 35 35 VAL CA C 13 67.1 0.2 . 1 . . . . . . . . 4732 1 290 . 1 1 35 35 VAL CB C 13 31.8 0.2 . 1 . . . . . . . . 4732 1 291 . 1 1 35 35 VAL N N 15 122.4 0.2 . 1 . . . . . . . . 4732 1 292 . 1 1 36 36 ALA H H 1 7.94 0.01 . 1 . . . . . . . . 4732 1 293 . 1 1 36 36 ALA HA H 1 4.10 0.01 . 1 . . . . . . . . 4732 1 294 . 1 1 36 36 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 4732 1 295 . 1 1 36 36 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 4732 1 296 . 1 1 36 36 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 4732 1 297 . 1 1 36 36 ALA CA C 13 55.3 0.2 . 1 . . . . . . . . 4732 1 298 . 1 1 36 36 ALA CB C 13 18.1 0.2 . 1 . . . . . . . . 4732 1 299 . 1 1 36 36 ALA N N 15 120.2 0.2 . 1 . . . . . . . . 4732 1 300 . 1 1 37 37 LYS H H 1 7.53 0.01 . 1 . . . . . . . . 4732 1 301 . 1 1 37 37 LYS HA H 1 4.16 0.01 . 1 . . . . . . . . 4732 1 302 . 1 1 37 37 LYS HB2 H 1 1.99 0.01 . 1 . . . . . . . . 4732 1 303 . 1 1 37 37 LYS HB3 H 1 1.99 0.01 . 1 . . . . . . . . 4732 1 304 . 1 1 37 37 LYS HG2 H 1 1.68 0.01 . 2 . . . . . . . . 4732 1 305 . 1 1 37 37 LYS HG3 H 1 1.50 0.01 . 2 . . . . . . . . 4732 1 306 . 1 1 37 37 LYS CA C 13 59.3 0.2 . 1 . . . . . . . . 4732 1 307 . 1 1 37 37 LYS N N 15 119.1 0.2 . 1 . . . . . . . . 4732 1 308 . 1 1 38 38 ARG H H 1 8.24 0.01 . 1 . . . . . . . . 4732 1 309 . 1 1 38 38 ARG HA H 1 4.29 0.01 . 1 . . . . . . . . 4732 1 310 . 1 1 38 38 ARG HB2 H 1 1.98 0.01 . 1 . . . . . . . . 4732 1 311 . 1 1 38 38 ARG HB3 H 1 1.98 0.01 . 1 . . . . . . . . 4732 1 312 . 1 1 38 38 ARG HG2 H 1 1.65 0.01 . 2 . . . . . . . . 4732 1 313 . 1 1 38 38 ARG HG3 H 1 1.78 0.01 . 2 . . . . . . . . 4732 1 314 . 1 1 38 38 ARG HD2 H 1 3.48 0.01 . 2 . . . . . . . . 4732 1 315 . 1 1 38 38 ARG HD3 H 1 3.37 0.01 . 2 . . . . . . . . 4732 1 316 . 1 1 38 38 ARG CA C 13 57.8 0.2 . 1 . . . . . . . . 4732 1 317 . 1 1 38 38 ARG CB C 13 29.1 0.2 . 1 . . . . . . . . 4732 1 318 . 1 1 38 38 ARG N N 15 121.1 0.2 . 1 . . . . . . . . 4732 1 319 . 1 1 39 39 GLY H H 1 9.16 0.01 . 1 . . . . . . . . 4732 1 320 . 1 1 39 39 GLY HA2 H 1 4.10 0.01 . 2 . . . . . . . . 4732 1 321 . 1 1 39 39 GLY HA3 H 1 4.05 0.01 . 2 . . . . . . . . 4732 1 322 . 1 1 39 39 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 4732 1 323 . 1 1 39 39 GLY N N 15 107.3 0.2 . 1 . . . . . . . . 4732 1 324 . 1 1 40 40 GLY H H 1 8.32 0.01 . 1 . . . . . . . . 4732 1 325 . 1 1 40 40 GLY HA2 H 1 4.03 0.01 . 2 . . . . . . . . 4732 1 326 . 1 1 40 40 GLY HA3 H 1 3.92 0.01 . 2 . . . . . . . . 4732 1 327 . 1 1 40 40 GLY CA C 13 47.7 0.2 . 1 . . . . . . . . 4732 1 328 . 1 1 40 40 GLY N N 15 108.8 0.2 . 1 . . . . . . . . 4732 1 329 . 1 1 41 41 GLU H H 1 7.66 0.01 . 1 . . . . . . . . 4732 1 330 . 1 1 41 41 GLU HA H 1 4.05 0.01 . 1 . . . . . . . . 4732 1 331 . 1 1 41 41 GLU HB2 H 1 2.10 0.01 . 2 . . . . . . . . 4732 1 332 . 1 1 41 41 GLU HB3 H 1 2.36 0.01 . 2 . . . . . . . . 4732 1 333 . 1 1 41 41 GLU HG2 H 1 2.51 0.01 . 1 . . . . . . . . 4732 1 334 . 1 1 41 41 GLU HG3 H 1 2.51 0.01 . 1 . . . . . . . . 4732 1 335 . 1 1 41 41 GLU N N 15 121.3 0.2 . 1 . . . . . . . . 4732 1 336 . 1 1 42 42 LEU H H 1 8.34 0.01 . 1 . . . . . . . . 4732 1 337 . 1 1 42 42 LEU HA H 1 4.08 0.01 . 1 . . . . . . . . 4732 1 338 . 1 1 42 42 LEU HB2 H 1 1.63 0.01 . 2 . . . . . . . . 4732 1 339 . 1 1 42 42 LEU HB3 H 1 2.36 0.01 . 2 . . . . . . . . 4732 1 340 . 1 1 42 42 LEU HG H 1 1.91 0.01 . 1 . . . . . . . . 4732 1 341 . 1 1 42 42 LEU HD11 H 1 1.11 0.01 . 2 . . . . . . . . 4732 1 342 . 1 1 42 42 LEU HD12 H 1 1.11 0.01 . 2 . . . . . . . . 4732 1 343 . 1 1 42 42 LEU HD13 H 1 1.11 0.01 . 2 . . . . . . . . 4732 1 344 . 1 1 42 42 LEU HD21 H 1 1.00 0.01 . 2 . . . . . . . . 4732 1 345 . 1 1 42 42 LEU HD22 H 1 1.00 0.01 . 2 . . . . . . . . 4732 1 346 . 1 1 42 42 LEU HD23 H 1 1.00 0.01 . 2 . . . . . . . . 4732 1 347 . 1 1 42 42 LEU CA C 13 57.8 0.2 . 1 . . . . . . . . 4732 1 348 . 1 1 42 42 LEU N N 15 121.3 0.2 . 1 . . . . . . . . 4732 1 349 . 1 1 43 43 TRP H H 1 8.68 0.01 . 1 . . . . . . . . 4732 1 350 . 1 1 43 43 TRP HA H 1 3.82 0.01 . 1 . . . . . . . . 4732 1 351 . 1 1 43 43 TRP HB2 H 1 3.17 0.01 . 2 . . . . . . . . 4732 1 352 . 1 1 43 43 TRP HB3 H 1 3.24 0.01 . 2 . . . . . . . . 4732 1 353 . 1 1 43 43 TRP HD1 H 1 6.95 0.01 . 1 . . . . . . . . 4732 1 354 . 1 1 43 43 TRP HE1 H 1 10.13 0.01 . 1 . . . . . . . . 4732 1 355 . 1 1 43 43 TRP HE3 H 1 6.35 0.01 . 1 . . . . . . . . 4732 1 356 . 1 1 43 43 TRP HZ2 H 1 7.52 0.01 . 1 . . . . . . . . 4732 1 357 . 1 1 43 43 TRP HZ3 H 1 6.53 0.01 . 1 . . . . . . . . 4732 1 358 . 1 1 43 43 TRP HH2 H 1 7.03 0.01 . 1 . . . . . . . . 4732 1 359 . 1 1 43 43 TRP CA C 13 59.7 0.2 . 1 . . . . . . . . 4732 1 360 . 1 1 43 43 TRP CB C 13 28.9 0.2 . 1 . . . . . . . . 4732 1 361 . 1 1 43 43 TRP N N 15 121.0 0.2 . 1 . . . . . . . . 4732 1 362 . 1 1 43 43 TRP NE1 N 15 128.0 0.2 . 1 . . . . . . . . 4732 1 363 . 1 1 44 44 ARG H H 1 7.91 0.01 . 1 . . . . . . . . 4732 1 364 . 1 1 44 44 ARG HA H 1 3.77 0.01 . 1 . . . . . . . . 4732 1 365 . 1 1 44 44 ARG HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4732 1 366 . 1 1 44 44 ARG HB3 H 1 1.81 0.01 . 2 . . . . . . . . 4732 1 367 . 1 1 44 44 ARG HG2 H 1 1.60 0.01 . 1 . . . . . . . . 4732 1 368 . 1 1 44 44 ARG HG3 H 1 1.60 0.01 . 1 . . . . . . . . 4732 1 369 . 1 1 44 44 ARG HD2 H 1 3.17 0.01 . 2 . . . . . . . . 4732 1 370 . 1 1 44 44 ARG HD3 H 1 3.27 0.01 . 2 . . . . . . . . 4732 1 371 . 1 1 44 44 ARG CA C 13 59.1 0.2 . 1 . . . . . . . . 4732 1 372 . 1 1 44 44 ARG CB C 13 29.9 0.2 . 1 . . . . . . . . 4732 1 373 . 1 1 44 44 ARG N N 15 116.6 0.2 . 1 . . . . . . . . 4732 1 374 . 1 1 45 45 ALA H H 1 7.14 0.01 . 1 . . . . . . . . 4732 1 375 . 1 1 45 45 ALA HA H 1 4.18 0.01 . 1 . . . . . . . . 4732 1 376 . 1 1 45 45 ALA HB1 H 1 1.45 0.01 . 1 . . . . . . . . 4732 1 377 . 1 1 45 45 ALA HB2 H 1 1.45 0.01 . 1 . . . . . . . . 4732 1 378 . 1 1 45 45 ALA HB3 H 1 1.45 0.01 . 1 . . . . . . . . 4732 1 379 . 1 1 45 45 ALA CA C 13 52.3 0.2 . 1 . . . . . . . . 4732 1 380 . 1 1 45 45 ALA CB C 13 19.5 0.2 . 1 . . . . . . . . 4732 1 381 . 1 1 45 45 ALA N N 15 118.2 0.2 . 1 . . . . . . . . 4732 1 382 . 1 1 46 46 MET H H 1 7.08 0.01 . 1 . . . . . . . . 4732 1 383 . 1 1 46 46 MET HA H 1 3.97 0.01 . 1 . . . . . . . . 4732 1 384 . 1 1 46 46 MET HB2 H 1 1.76 0.01 . 2 . . . . . . . . 4732 1 385 . 1 1 46 46 MET HB3 H 1 1.55 0.01 . 2 . . . . . . . . 4732 1 386 . 1 1 46 46 MET HG2 H 1 2.04 0.01 . 2 . . . . . . . . 4732 1 387 . 1 1 46 46 MET HG3 H 1 2.38 0.01 . 2 . . . . . . . . 4732 1 388 . 1 1 46 46 MET HE1 H 1 1.50 0.01 . 1 . . . . . . . . 4732 1 389 . 1 1 46 46 MET HE2 H 1 1.50 0.01 . 1 . . . . . . . . 4732 1 390 . 1 1 46 46 MET HE3 H 1 1.50 0.01 . 1 . . . . . . . . 4732 1 391 . 1 1 46 46 MET CA C 13 56.7 0.2 . 1 . . . . . . . . 4732 1 392 . 1 1 46 46 MET CB C 13 32.9 0.2 . 1 . . . . . . . . 4732 1 393 . 1 1 46 46 MET N N 15 120.9 0.2 . 1 . . . . . . . . 4732 1 394 . 1 1 47 47 LYS H H 1 8.48 0.01 . 1 . . . . . . . . 4732 1 395 . 1 1 47 47 LYS HA H 1 4.00 0.01 . 1 . . . . . . . . 4732 1 396 . 1 1 47 47 LYS HB2 H 1 1.81 0.01 . 1 . . . . . . . . 4732 1 397 . 1 1 47 47 LYS HB3 H 1 1.81 0.01 . 1 . . . . . . . . 4732 1 398 . 1 1 47 47 LYS HG2 H 1 1.45 0.01 . 2 . . . . . . . . 4732 1 399 . 1 1 47 47 LYS HG3 H 1 1.52 0.01 . 2 . . . . . . . . 4732 1 400 . 1 1 47 47 LYS CA C 13 58.5 0.2 . 1 . . . . . . . . 4732 1 401 . 1 1 47 47 LYS N N 15 127.2 0.2 . 1 . . . . . . . . 4732 1 402 . 1 1 48 48 ASP H H 1 8.11 0.01 . 1 . . . . . . . . 4732 1 403 . 1 1 48 48 ASP HA H 1 4.89 0.01 . 1 . . . . . . . . 4732 1 404 . 1 1 48 48 ASP HB2 H 1 2.54 0.01 . 2 . . . . . . . . 4732 1 405 . 1 1 48 48 ASP HB3 H 1 2.89 0.01 . 2 . . . . . . . . 4732 1 406 . 1 1 48 48 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 4732 1 407 . 1 1 48 48 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 4732 1 408 . 1 1 48 48 ASP N N 15 117.0 0.2 . 1 . . . . . . . . 4732 1 409 . 1 1 49 49 LYS H H 1 8.75 0.01 . 1 . . . . . . . . 4732 1 410 . 1 1 49 49 LYS HA H 1 4.44 0.01 . 1 . . . . . . . . 4732 1 411 . 1 1 49 49 LYS HB2 H 1 1.39 0.01 . 2 . . . . . . . . 4732 1 412 . 1 1 49 49 LYS HB3 H 1 2.04 0.01 . 2 . . . . . . . . 4732 1 413 . 1 1 49 49 LYS HG2 H 1 0.85 0.01 . 2 . . . . . . . . 4732 1 414 . 1 1 49 49 LYS HG3 H 1 0.20 0.01 . 2 . . . . . . . . 4732 1 415 . 1 1 49 49 LYS N N 15 125.5 0.2 . 1 . . . . . . . . 4732 1 416 . 1 1 50 50 SER H H 1 8.49 0.01 . 1 . . . . . . . . 4732 1 417 . 1 1 50 50 SER HA H 1 4.16 0.01 . 1 . . . . . . . . 4732 1 418 . 1 1 50 50 SER N N 15 117.4 0.2 . 1 . . . . . . . . 4732 1 419 . 1 1 51 51 GLU H H 1 9.01 0.01 . 1 . . . . . . . . 4732 1 420 . 1 1 51 51 GLU N N 15 124.4 0.2 . 1 . . . . . . . . 4732 1 421 . 1 1 52 52 TRP H H 1 6.96 0.01 . 1 . . . . . . . . 4732 1 422 . 1 1 52 52 TRP HA H 1 4.50 0.01 . 1 . . . . . . . . 4732 1 423 . 1 1 52 52 TRP HB2 H 1 4.08 0.01 . 2 . . . . . . . . 4732 1 424 . 1 1 52 52 TRP HB3 H 1 3.48 0.01 . 2 . . . . . . . . 4732 1 425 . 1 1 52 52 TRP HD1 H 1 7.36 0.01 . 1 . . . . . . . . 4732 1 426 . 1 1 52 52 TRP HE1 H 1 10.73 0.01 . 1 . . . . . . . . 4732 1 427 . 1 1 52 52 TRP HE3 H 1 7.63 0.01 . 1 . . . . . . . . 4732 1 428 . 1 1 52 52 TRP HZ2 H 1 7.78 0.01 . 1 . . . . . . . . 4732 1 429 . 1 1 52 52 TRP HZ3 H 1 7.10 0.01 . 1 . . . . . . . . 4732 1 430 . 1 1 52 52 TRP HH2 H 1 7.37 0.01 . 1 . . . . . . . . 4732 1 431 . 1 1 52 52 TRP CA C 13 58.9 0.2 . 1 . . . . . . . . 4732 1 432 . 1 1 52 52 TRP CB C 13 29.6 0.2 . 1 . . . . . . . . 4732 1 433 . 1 1 52 52 TRP N N 15 121.1 0.2 . 1 . . . . . . . . 4732 1 434 . 1 1 52 52 TRP NE1 N 15 130.4 0.2 . 1 . . . . . . . . 4732 1 435 . 1 1 53 53 GLU H H 1 8.51 0.01 . 1 . . . . . . . . 4732 1 436 . 1 1 53 53 GLU HA H 1 4.44 0.01 . 1 . . . . . . . . 4732 1 437 . 1 1 53 53 GLU HB2 H 1 2.15 0.01 . 1 . . . . . . . . 4732 1 438 . 1 1 53 53 GLU HB3 H 1 2.15 0.01 . 1 . . . . . . . . 4732 1 439 . 1 1 53 53 GLU HG2 H 1 2.51 0.01 . 1 . . . . . . . . 4732 1 440 . 1 1 53 53 GLU HG3 H 1 2.51 0.01 . 1 . . . . . . . . 4732 1 441 . 1 1 53 53 GLU CA C 13 59.7 0.2 . 1 . . . . . . . . 4732 1 442 . 1 1 53 53 GLU N N 15 119.6 0.2 . 1 . . . . . . . . 4732 1 443 . 1 1 54 54 ALA H H 1 8.41 0.01 . 1 . . . . . . . . 4732 1 444 . 1 1 54 54 ALA HA H 1 4.42 0.01 . 1 . . . . . . . . 4732 1 445 . 1 1 54 54 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 4732 1 446 . 1 1 54 54 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 4732 1 447 . 1 1 54 54 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 4732 1 448 . 1 1 54 54 ALA CA C 13 55.3 0.01 . 1 . . . . . . . . 4732 1 449 . 1 1 54 54 ALA CB C 13 17.8 0.01 . 1 . . . . . . . . 4732 1 450 . 1 1 54 54 ALA N N 15 123.3 0.2 . 1 . . . . . . . . 4732 1 451 . 1 1 55 55 LYS H H 1 7.82 0.01 . 1 . . . . . . . . 4732 1 452 . 1 1 55 55 LYS HA H 1 4.08 0.01 . 1 . . . . . . . . 4732 1 453 . 1 1 55 55 LYS HB2 H 1 2.02 0.01 . 1 . . . . . . . . 4732 1 454 . 1 1 55 55 LYS HB3 H 1 2.02 0.01 . 1 . . . . . . . . 4732 1 455 . 1 1 55 55 LYS HG2 H 1 1.47 0.01 . 1 . . . . . . . . 4732 1 456 . 1 1 55 55 LYS HG3 H 1 1.47 0.01 . 1 . . . . . . . . 4732 1 457 . 1 1 55 55 LYS HD2 H 1 1.68 0.01 . 2 . . . . . . . . 4732 1 458 . 1 1 55 55 LYS HD3 H 1 1.31 0.01 . 2 . . . . . . . . 4732 1 459 . 1 1 55 55 LYS HE2 H 1 2.77 0.01 . 2 . . . . . . . . 4732 1 460 . 1 1 55 55 LYS HE3 H 1 2.70 0.01 . 2 . . . . . . . . 4732 1 461 . 1 1 55 55 LYS CA C 13 60.2 0.2 . 1 . . . . . . . . 4732 1 462 . 1 1 55 55 LYS CB C 13 33.2 0.2 . 1 . . . . . . . . 4732 1 463 . 1 1 55 55 LYS N N 15 119.7 0.2 . 1 . . . . . . . . 4732 1 464 . 1 1 56 56 ALA H H 1 8.54 0.01 . 1 . . . . . . . . 4732 1 465 . 1 1 56 56 ALA HA H 1 4.18 0.01 . 1 . . . . . . . . 4732 1 466 . 1 1 56 56 ALA HB1 H 1 1.68 0.01 . 1 . . . . . . . . 4732 1 467 . 1 1 56 56 ALA HB2 H 1 1.68 0.01 . 1 . . . . . . . . 4732 1 468 . 1 1 56 56 ALA HB3 H 1 1.68 0.01 . 1 . . . . . . . . 4732 1 469 . 1 1 56 56 ALA CA C 13 55.2 0.2 . 1 . . . . . . . . 4732 1 470 . 1 1 56 56 ALA N N 15 123.5 0.2 . 1 . . . . . . . . 4732 1 471 . 1 1 57 57 ALA H H 1 8.29 0.01 . 1 . . . . . . . . 4732 1 472 . 1 1 57 57 ALA HA H 1 4.31 0.01 . 1 . . . . . . . . 4732 1 473 . 1 1 57 57 ALA HB1 H 1 1.63 0.01 . 1 . . . . . . . . 4732 1 474 . 1 1 57 57 ALA HB2 H 1 1.63 0.01 . 1 . . . . . . . . 4732 1 475 . 1 1 57 57 ALA HB3 H 1 1.63 0.01 . 1 . . . . . . . . 4732 1 476 . 1 1 57 57 ALA CA C 13 55.3 0.2 . 1 . . . . . . . . 4732 1 477 . 1 1 57 57 ALA N N 15 123.3 0.2 . 1 . . . . . . . . 4732 1 478 . 1 1 58 58 LYS H H 1 7.87 0.01 . 1 . . . . . . . . 4732 1 479 . 1 1 58 58 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 4732 1 480 . 1 1 58 58 LYS HB2 H 1 1.99 0.01 . 1 . . . . . . . . 4732 1 481 . 1 1 58 58 LYS HB3 H 1 1.99 0.01 . 1 . . . . . . . . 4732 1 482 . 1 1 58 58 LYS HG2 H 1 1.42 0.01 . 2 . . . . . . . . 4732 1 483 . 1 1 58 58 LYS HG3 H 1 1.63 0.01 . 2 . . . . . . . . 4732 1 484 . 1 1 58 58 LYS CA C 13 58.6 0.2 . 1 . . . . . . . . 4732 1 485 . 1 1 58 58 LYS CB C 13 31.8 0.2 . 1 . . . . . . . . 4732 1 486 . 1 1 58 58 LYS N N 15 120.0 0.2 . 1 . . . . . . . . 4732 1 487 . 1 1 59 59 ALA H H 1 7.99 0.01 . 1 . . . . . . . . 4732 1 488 . 1 1 59 59 ALA HA H 1 4.34 0.01 . 1 . . . . . . . . 4732 1 489 . 1 1 59 59 ALA HB1 H 1 1.65 0.01 . 1 . . . . . . . . 4732 1 490 . 1 1 59 59 ALA HB2 H 1 1.65 0.01 . 1 . . . . . . . . 4732 1 491 . 1 1 59 59 ALA HB3 H 1 1.65 0.01 . 1 . . . . . . . . 4732 1 492 . 1 1 59 59 ALA CA C 13 54.9 0.2 . 1 . . . . . . . . 4732 1 493 . 1 1 59 59 ALA N N 15 120.3 0.2 . 1 . . . . . . . . 4732 1 494 . 1 1 60 60 LYS H H 1 8.21 0.01 . 1 . . . . . . . . 4732 1 495 . 1 1 60 60 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 4732 1 496 . 1 1 60 60 LYS HB2 H 1 2.18 0.01 . 2 . . . . . . . . 4732 1 497 . 1 1 60 60 LYS HB3 H 1 1.97 0.01 . 2 . . . . . . . . 4732 1 498 . 1 1 60 60 LYS HG2 H 1 1.61 0.01 . 1 . . . . . . . . 4732 1 499 . 1 1 60 60 LYS HG3 H 1 1.61 0.01 . 1 . . . . . . . . 4732 1 500 . 1 1 60 60 LYS CA C 13 59.7 0.2 . 1 . . . . . . . . 4732 1 501 . 1 1 60 60 LYS CB C 13 31.8 0.2 . 1 . . . . . . . . 4732 1 502 . 1 1 60 60 LYS N N 15 121.3 0.2 . 1 . . . . . . . . 4732 1 503 . 1 1 61 61 ASP H H 1 8.12 0.01 . 1 . . . . . . . . 4732 1 504 . 1 1 61 61 ASP HA H 1 4.52 0.01 . 1 . . . . . . . . 4732 1 505 . 1 1 61 61 ASP HB2 H 1 2.83 0.01 . 2 . . . . . . . . 4732 1 506 . 1 1 61 61 ASP HB3 H 1 2.91 0.01 . 2 . . . . . . . . 4732 1 507 . 1 1 61 61 ASP CA C 13 58.0 0.2 . 1 . . . . . . . . 4732 1 508 . 1 1 61 61 ASP CB C 13 40.8 0.2 . 1 . . . . . . . . 4732 1 509 . 1 1 61 61 ASP N N 15 121.3 0.2 . 1 . . . . . . . . 4732 1 510 . 1 1 62 62 ASP H H 1 8.62 0.01 . 1 . . . . . . . . 4732 1 511 . 1 1 62 62 ASP HA H 1 4.42 0.01 . 1 . . . . . . . . 4732 1 512 . 1 1 62 62 ASP HB2 H 1 2.85 0.01 . 2 . . . . . . . . 4732 1 513 . 1 1 62 62 ASP HB3 H 1 2.72 0.01 . 2 . . . . . . . . 4732 1 514 . 1 1 62 62 ASP CA C 13 57.5 0.2 . 1 . . . . . . . . 4732 1 515 . 1 1 62 62 ASP N N 15 119.6 0.2 . 1 . . . . . . . . 4732 1 516 . 1 1 63 63 TYR H H 1 8.15 0.01 . 1 . . . . . . . . 4732 1 517 . 1 1 63 63 TYR HA H 1 4.31 0.01 . 1 . . . . . . . . 4732 1 518 . 1 1 63 63 TYR HB2 H 1 3.30 0.01 . 2 . . . . . . . . 4732 1 519 . 1 1 63 63 TYR HB3 H 1 3.14 0.01 . 2 . . . . . . . . 4732 1 520 . 1 1 63 63 TYR HD1 H 1 7.22 0.01 . 1 . . . . . . . . 4732 1 521 . 1 1 63 63 TYR HD2 H 1 7.22 0.01 . 1 . . . . . . . . 4732 1 522 . 1 1 63 63 TYR HE1 H 1 6.66 0.01 . 1 . . . . . . . . 4732 1 523 . 1 1 63 63 TYR HE2 H 1 6.66 0.01 . 1 . . . . . . . . 4732 1 524 . 1 1 63 63 TYR CA C 13 61.6 0.2 . 1 . . . . . . . . 4732 1 525 . 1 1 63 63 TYR CB C 13 38.4 0.2 . 1 . . . . . . . . 4732 1 526 . 1 1 63 63 TYR N N 15 123.3 0.2 . 1 . . . . . . . . 4732 1 527 . 1 1 64 64 ASP H H 1 8.80 0.01 . 1 . . . . . . . . 4732 1 528 . 1 1 64 64 ASP HA H 1 4.24 0.01 . 1 . . . . . . . . 4732 1 529 . 1 1 64 64 ASP HB2 H 1 2.67 0.01 . 2 . . . . . . . . 4732 1 530 . 1 1 64 64 ASP HB3 H 1 2.91 0.01 . 2 . . . . . . . . 4732 1 531 . 1 1 64 64 ASP CA C 13 57.5 0.2 . 1 . . . . . . . . 4732 1 532 . 1 1 64 64 ASP CB C 13 40.4 0.2 . 1 . . . . . . . . 4732 1 533 . 1 1 64 64 ASP N N 15 120.5 0.2 . 1 . . . . . . . . 4732 1 534 . 1 1 65 65 ARG H H 1 7.93 0.01 . 1 . . . . . . . . 4732 1 535 . 1 1 65 65 ARG HA H 1 4.08 0.01 . 1 . . . . . . . . 4732 1 536 . 1 1 65 65 ARG HB2 H 1 1.94 0.01 . 1 . . . . . . . . 4732 1 537 . 1 1 65 65 ARG HB3 H 1 1.94 0.01 . 1 . . . . . . . . 4732 1 538 . 1 1 65 65 ARG HG2 H 1 1.60 0.01 . 2 . . . . . . . . 4732 1 539 . 1 1 65 65 ARG HG3 H 1 1.81 0.01 . 2 . . . . . . . . 4732 1 540 . 1 1 65 65 ARG HD2 H 1 3.27 0.01 . 1 . . . . . . . . 4732 1 541 . 1 1 65 65 ARG HD3 H 1 3.27 0.01 . 1 . . . . . . . . 4732 1 542 . 1 1 65 65 ARG CA C 13 59.4 0.2 . 1 . . . . . . . . 4732 1 543 . 1 1 65 65 ARG CB C 13 29.9 0.2 . 1 . . . . . . . . 4732 1 544 . 1 1 65 65 ARG N N 15 119.2 0.2 . 1 . . . . . . . . 4732 1 545 . 1 1 66 66 ALA H H 1 8.08 0.01 . 1 . . . . . . . . 4732 1 546 . 1 1 66 66 ALA HA H 1 4.21 0.01 . 1 . . . . . . . . 4732 1 547 . 1 1 66 66 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 4732 1 548 . 1 1 66 66 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 4732 1 549 . 1 1 66 66 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 4732 1 550 . 1 1 66 66 ALA CA C 13 55.0 0.2 . 1 . . . . . . . . 4732 1 551 . 1 1 66 66 ALA CB C 13 18.4 0.2 . 1 . . . . . . . . 4732 1 552 . 1 1 66 66 ALA N N 15 123.3 0.2 . 1 . . . . . . . . 4732 1 553 . 1 1 67 67 VAL H H 1 8.87 0.01 . 1 . . . . . . . . 4732 1 554 . 1 1 67 67 VAL HA H 1 3.54 0.01 . 1 . . . . . . . . 4732 1 555 . 1 1 67 67 VAL HB H 1 1.88 0.01 . 1 . . . . . . . . 4732 1 556 . 1 1 67 67 VAL HG11 H 1 0.85 0.01 . 2 . . . . . . . . 4732 1 557 . 1 1 67 67 VAL HG12 H 1 0.85 0.01 . 2 . . . . . . . . 4732 1 558 . 1 1 67 67 VAL HG13 H 1 0.85 0.01 . 2 . . . . . . . . 4732 1 559 . 1 1 67 67 VAL HG21 H 1 0.51 0.01 . 2 . . . . . . . . 4732 1 560 . 1 1 67 67 VAL HG22 H 1 0.51 0.01 . 2 . . . . . . . . 4732 1 561 . 1 1 67 67 VAL HG23 H 1 0.51 0.01 . 2 . . . . . . . . 4732 1 562 . 1 1 67 67 VAL CA C 13 66.5 0.2 . 1 . . . . . . . . 4732 1 563 . 1 1 67 67 VAL CB C 13 31.5 0.2 . 1 . . . . . . . . 4732 1 564 . 1 1 67 67 VAL N N 15 120.6 0.2 . 1 . . . . . . . . 4732 1 565 . 1 1 68 68 LYS H H 1 7.57 0.01 . 1 . . . . . . . . 4732 1 566 . 1 1 68 68 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 4732 1 567 . 1 1 68 68 LYS HB2 H 1 1.89 0.01 . 2 . . . . . . . . 4732 1 568 . 1 1 68 68 LYS HB3 H 1 1.94 0.01 . 2 . . . . . . . . 4732 1 569 . 1 1 68 68 LYS HG2 H 1 1.50 0.01 . 1 . . . . . . . . 4732 1 570 . 1 1 68 68 LYS HG3 H 1 1.50 0.01 . 1 . . . . . . . . 4732 1 571 . 1 1 68 68 LYS CA C 13 59.1 0.2 . 1 . . . . . . . . 4732 1 572 . 1 1 68 68 LYS CB C 13 31.8 0.2 . 1 . . . . . . . . 4732 1 573 . 1 1 68 68 LYS N N 15 120.5 0.2 . 1 . . . . . . . . 4732 1 574 . 1 1 69 69 GLU H H 1 7.93 0.01 . 1 . . . . . . . . 4732 1 575 . 1 1 69 69 GLU HA H 1 4.05 0.01 . 1 . . . . . . . . 4732 1 576 . 1 1 69 69 GLU HB2 H 1 2.10 0.01 . 1 . . . . . . . . 4732 1 577 . 1 1 69 69 GLU HB3 H 1 2.10 0.01 . 1 . . . . . . . . 4732 1 578 . 1 1 69 69 GLU HG2 H 1 2.38 0.01 . 2 . . . . . . . . 4732 1 579 . 1 1 69 69 GLU HG3 H 1 2.25 0.01 . 2 . . . . . . . . 4732 1 580 . 1 1 69 69 GLU CA C 13 58.8 0.2 . 1 . . . . . . . . 4732 1 581 . 1 1 69 69 GLU N N 15 119.3 0.2 . 1 . . . . . . . . 4732 1 582 . 1 1 70 70 PHE H H 1 8.23 0.01 . 1 . . . . . . . . 4732 1 583 . 1 1 70 70 PHE HA H 1 4.37 0.01 . 1 . . . . . . . . 4732 1 584 . 1 1 70 70 PHE HB2 H 1 3.27 0.01 . 1 . . . . . . . . 4732 1 585 . 1 1 70 70 PHE HB3 H 1 3.27 0.01 . 1 . . . . . . . . 4732 1 586 . 1 1 70 70 PHE HD1 H 1 7.28 0.01 . 1 . . . . . . . . 4732 1 587 . 1 1 70 70 PHE HD2 H 1 7.28 0.01 . 1 . . . . . . . . 4732 1 588 . 1 1 70 70 PHE HE1 H 1 7.34 0.01 . 1 . . . . . . . . 4732 1 589 . 1 1 70 70 PHE HE2 H 1 7.34 0.01 . 1 . . . . . . . . 4732 1 590 . 1 1 70 70 PHE CA C 13 60.2 0.2 . 1 . . . . . . . . 4732 1 591 . 1 1 70 70 PHE CB C 13 39.5 0.2 . 1 . . . . . . . . 4732 1 592 . 1 1 70 70 PHE N N 15 120.8 0.2 . 1 . . . . . . . . 4732 1 593 . 1 1 71 71 GLU H H 1 8.49 0.01 . 1 . . . . . . . . 4732 1 594 . 1 1 71 71 GLU HA H 1 3.95 0.01 . 1 . . . . . . . . 4732 1 595 . 1 1 71 71 GLU HB2 H 1 2.07 0.01 . 2 . . . . . . . . 4732 1 596 . 1 1 71 71 GLU HB3 H 1 2.15 0.01 . 2 . . . . . . . . 4732 1 597 . 1 1 71 71 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 4732 1 598 . 1 1 71 71 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 4732 1 599 . 1 1 71 71 GLU CA C 13 58.3 0.2 . 1 . . . . . . . . 4732 1 600 . 1 1 71 71 GLU CB C 13 29.6 0.2 . 1 . . . . . . . . 4732 1 601 . 1 1 71 71 GLU N N 15 119.3 0.2 . 1 . . . . . . . . 4732 1 602 . 1 1 72 72 ALA H H 1 7.96 0.01 . 1 . . . . . . . . 4732 1 603 . 1 1 72 72 ALA HA H 1 4.21 0.01 . 1 . . . . . . . . 4732 1 604 . 1 1 72 72 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 4732 1 605 . 1 1 72 72 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 4732 1 606 . 1 1 72 72 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 4732 1 607 . 1 1 72 72 ALA CA C 13 53.9 0.2 . 1 . . . . . . . . 4732 1 608 . 1 1 72 72 ALA CB C 13 18.9 0.2 . 1 . . . . . . . . 4732 1 609 . 1 1 72 72 ALA N N 15 122.3 0.2 . 1 . . . . . . . . 4732 1 610 . 1 1 73 73 ASN H H 1 7.86 0.01 . 1 . . . . . . . . 4732 1 611 . 1 1 73 73 ASN HB2 H 1 2.91 0.01 . 2 . . . . . . . . 4732 1 612 . 1 1 73 73 ASN HB3 H 1 2.78 0.01 . 2 . . . . . . . . 4732 1 613 . 1 1 73 73 ASN HD21 H 1 7.61 0.01 . 2 . . . . . . . . 4732 1 614 . 1 1 73 73 ASN HD22 H 1 6.96 0.01 . 2 . . . . . . . . 4732 1 615 . 1 1 73 73 ASN CA C 13 53.1 0.2 . 1 . . . . . . . . 4732 1 616 . 1 1 73 73 ASN CB C 13 38.9 0.2 . 1 . . . . . . . . 4732 1 617 . 1 1 73 73 ASN N N 15 115.2 0.2 . 1 . . . . . . . . 4732 1 618 . 1 1 73 73 ASN ND2 N 15 113.3 0.2 . 1 . . . . . . . . 4732 1 619 . 1 1 74 74 GLY H H 1 7.98 0.01 . 1 . . . . . . . . 4732 1 620 . 1 1 74 74 GLY CA C 13 45.5 0.01 . 1 . . . . . . . . 4732 1 621 . 1 1 74 74 GLY N N 15 108.2 0.2 . 1 . . . . . . . . 4732 1 622 . 1 1 75 75 GLY H H 1 8.09 0.01 . 1 . . . . . . . . 4732 1 623 . 1 1 75 75 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 4732 1 624 . 1 1 75 75 GLY N N 15 108.7 0.2 . 1 . . . . . . . . 4732 1 625 . 1 1 76 76 SER H H 1 8.24 0.01 . 1 . . . . . . . . 4732 1 626 . 1 1 76 76 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 4732 1 627 . 1 1 76 76 SER N N 15 116.0 0.2 . 1 . . . . . . . . 4732 1 628 . 1 1 77 77 SER H H 1 8.42 0.01 . 1 . . . . . . . . 4732 1 629 . 1 1 77 77 SER N N 15 118.1 0.2 . 1 . . . . . . . . 4732 1 630 . 1 1 80 80 ASN ND2 N 15 112.8 0.2 . 1 . . . . . . . . 4732 1 631 . 1 1 81 81 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 4732 1 632 . 1 1 82 82 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 4732 1 633 . 1 1 83 83 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 4732 1 634 . 1 1 84 84 ALA H H 1 8.19 0.01 . 1 . . . . . . . . 4732 1 635 . 1 1 84 84 ALA N N 15 123.6 0.2 . 1 . . . . . . . . 4732 1 636 . 1 1 90 90 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 4732 1 637 . 1 1 90 90 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 4732 1 638 . 1 1 91 91 ALA H H 1 8.41 0.01 . 1 . . . . . . . . 4732 1 639 . 1 1 91 91 ALA N N 15 124.6 0.2 . 1 . . . . . . . . 4732 1 640 . 1 1 94 94 VAL CA C 13 62.1 0.2 . 1 . . . . . . . . 4732 1 641 . 1 1 94 94 VAL CB C 13 32.9 0.2 . 1 . . . . . . . . 4732 1 642 . 1 1 95 95 ALA H H 1 8.38 0.01 . 1 . . . . . . . . 4732 1 643 . 1 1 95 95 ALA N N 15 128.1 0.2 . 1 . . . . . . . . 4732 1 644 . 1 1 101 101 GLU H H 1 8.47 0.01 . 1 . . . . . . . . 4732 1 645 . 1 1 101 101 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 4732 1 646 . 1 1 101 101 GLU HB2 H 1 2.10 0.01 . 2 . . . . . . . . 4732 1 647 . 1 1 101 101 GLU HB3 H 1 1.97 0.01 . 2 . . . . . . . . 4732 1 648 . 1 1 101 101 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 4732 1 649 . 1 1 101 101 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 4732 1 650 . 1 1 101 101 GLU CA C 13 56.9 0.2 . 1 . . . . . . . . 4732 1 651 . 1 1 101 101 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 4732 1 652 . 1 1 101 101 GLU N N 15 121.0 0.2 . 1 . . . . . . . . 4732 1 653 . 1 1 102 102 GLU H H 1 8.42 0.01 . 1 . . . . . . . . 4732 1 654 . 1 1 102 102 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 4732 1 655 . 1 1 102 102 GLU HB2 H 1 2.10 0.01 . 2 . . . . . . . . 4732 1 656 . 1 1 102 102 GLU HB3 H 1 1.99 0.01 . 2 . . . . . . . . 4732 1 657 . 1 1 102 102 GLU HG2 H 1 2.28 0.01 . 1 . . . . . . . . 4732 1 658 . 1 1 102 102 GLU HG3 H 1 2.28 0.01 . 1 . . . . . . . . 4732 1 659 . 1 1 102 102 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 4732 1 660 . 1 1 102 102 GLU CB C 13 29.9 0.2 . 1 . . . . . . . . 4732 1 661 . 1 1 102 102 GLU N N 15 120.6 0.2 . 1 . . . . . . . . 4732 1 662 . 1 1 103 103 SER H H 1 8.20 0.01 . 1 . . . . . . . . 4732 1 663 . 1 1 103 103 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 4732 1 664 . 1 1 103 103 SER CB C 13 64.0 0.2 . 1 . . . . . . . . 4732 1 665 . 1 1 103 103 SER N N 15 115.2 0.2 . 1 . . . . . . . . 4732 1 666 . 1 1 104 104 ASP CA C 13 54.2 0.2 . 1 . . . . . . . . 4732 1 667 . 1 1 104 104 ASP CB C 13 41.6 0.2 . 1 . . . . . . . . 4732 1 668 . 1 1 105 105 GLU H H 1 8.31 0.01 . 1 . . . . . . . . 4732 1 669 . 1 1 105 105 GLU N N 15 120.2 0.2 . 1 . . . . . . . . 4732 1 670 . 1 1 106 106 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 4732 1 671 . 1 1 106 106 ASP CB C 13 41.4 0.2 . 1 . . . . . . . . 4732 1 672 . 1 1 106 106 ASP N N 15 120.9 0.2 . 1 . . . . . . . . 4732 1 673 . 1 1 107 107 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 4732 1 674 . 1 1 107 107 ASP CB C 13 41.4 0.2 . 1 . . . . . . . . 4732 1 675 . 1 1 107 107 ASP N N 15 120.9 0.2 . 1 . . . . . . . . 4732 1 676 . 1 1 108 108 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 4732 1 677 . 1 1 108 108 ASP CB C 13 41.4 0.2 . 1 . . . . . . . . 4732 1 678 . 1 1 108 108 ASP N N 15 120.9 0.2 . 1 . . . . . . . . 4732 1 679 . 1 1 109 109 ASP CA C 13 54.8 0.2 . 1 . . . . . . . . 4732 1 680 . 1 1 109 109 ASP CB C 13 41.4 0.2 . 1 . . . . . . . . 4732 1 681 . 1 1 109 109 ASP N N 15 120.9 0.2 . 1 . . . . . . . . 4732 1 682 . 1 1 110 110 GLU H H 1 8.38 0.01 . 1 . . . . . . . . 4732 1 683 . 1 1 110 110 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 4732 1 684 . 1 1 110 110 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 4732 1 685 . 1 1 110 110 GLU N N 15 121.0 0.2 . 1 . . . . . . . . 4732 1 686 . 1 1 111 111 SER H H 1 8.29 0.01 . 1 . . . . . . . . 4732 1 687 . 1 1 111 111 SER CA C 13 58.9 0.2 . 1 . . . . . . . . 4732 1 688 . 1 1 111 111 SER CB C 13 64.3 0.2 . 1 . . . . . . . . 4732 1 689 . 1 1 111 111 SER N N 15 117.0 0.2 . 1 . . . . . . . . 4732 1 690 . 1 1 112 112 GLU H H 1 8.04 0.01 . 1 . . . . . . . . 4732 1 691 . 1 1 112 112 GLU N N 15 127.4 0.2 . 1 . . . . . . . . 4732 1 stop_ save_